First principles study on the electronic structure and photocatalytic performance of MoS2 monolayer via phosphorus and halogen (F, Cl, Br, and I) co-doping | Synapse
March 3, 2026
First principles study on the electronic structure and photocatalytic performance of MoS2 monolayer via phosphorus and halogen (F, Cl, Br, and I) co-doping
Key Points
Enhanced photocatalytic performance observed in MoS2 monolayers with co-doping.
Co-doping with phosphorus and halogens (F, Cl, Br, I) leads to significant improvements.
First principles study employed to analyze the electronic structure of the material.
Findings suggest a pathway for optimizing photocatalysts for energy applications.